propan-2-yl 3,4-dimethyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3,4-dimethyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3,4-dimethyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[4-[(1-oxo-2-phenylbutyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3,4-dimethyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OC(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OC(C)C

InChI

InChI=1S/C26H31N3O3S/c1-6-21(18-10-8-7-9-11-18)24(30)27-20-14-12-19(13-15-20)23-22(25(31)32-16(2)3)17(4)29(5)26(33)28-23/h7-16,21,23H,6H2,1-5H3,(H,27,30)(H,28,33)